assign_charges Namespace Reference

Variables
	ifs = oemolistream()
	ofs = oemolostream()
bool	first = True
	mol = OEGraphMol(m)

Variable Documentation

first

bool assign_charges.first = True

ifs

assign_charges.ifs = oemolistream()

Referenced by basic::resource_manager::ResourceManager.initialize_from_commandline(), and main().

mol

assign_charges.mol = OEGraphMol(m)

ofs

assign_charges.ofs = oemolostream()

Referenced by densityTools(), and RDCToolMover.dump_averages().